1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine

C12H14BrN3O2 — CID 104706819

IUPAC1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
SMILESCOc1ccc(OCCn2ccc(N)n2)c(Br)c1
InChIInChI=1S/C12H14BrN3O2/c1-17-9-2-3-11(10(13)8-9)18-7-6-16-5-4-12(14)15-16/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyWIMUKFAJFVZPEX-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine

1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine (PubChem CID 104706819) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
PubChem CID104706819
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
SMILESCOc1ccc(OCCn2ccc(N)n2)c(Br)c1
InChIInChI=1S/C12H14BrN3O2/c1-17-9-2-3-11(10(13)8-9)18-7-6-16-5-4-12(14)15-16/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyWIMUKFAJFVZPEX-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine
CID 63316122
1-[3-(2-bromophenoxy)propyl]pyrazol-3-amine
CID 63311464
1-[2-(3,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316031
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316162
1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 64853417
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine (CID 104706819) is 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine is COc1ccc(OCCn2ccc(N)n2)c(Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is WIMUKFAJFVZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-17-9-2-3-11(10(13)8-9)18-7-6-16-5-4-12(14)15-16/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine?
1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 312.17 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 104706819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).